Het-PDB Navi2 (PDB: 2VA7)

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Ligands
Code	Name		Style	Show	Link
C27	(6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one				PoSSuM
IOD	Iodide ion				PoSSuM

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Download interaction data: 2VA7

Code :

2VA7 PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

X-ray crystal structure of beta secretase complexed with compound 27

Release Data :

2007-11-13

Compound :

mol_id	molecule	chains	synonym
1	BETA-SECRETASE 1 .	A	BETA-SITE APP CLEAVING ENZYME 1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP 2, ASP2
	ec: 3.4.23.46 fragment: PROTEASE DOMAIN, RESIDUES 14-453 mutation: YES

Source :

mol_id	organism_scientific	organism_common	expression_system
1	HOMO SAPIENS (taxid:9606)	HUMAN	ESCHERICHIA COLI (taxid:469008)
	organ: BRAIN expression_system_strain: BL21(DE3) expression_system_vector_type: PLASMID expression_system_plasmid: PET

Authors :

Edwards, P.D., Albert, J.S., Sylvester, M., Aharony, D., Andisik, D., Callaghan, O., Campbell, J.B., Carr, R.A., Chessari, G., Congreve, M., Frederickson, M., Folmer, R.H.A., Geschwindner, S., Koether, G., Kolmodin, K., Krumrine, J., Mauger, R.C., Murray, C.W., Olsson, L.L., Patel, S., Spear, N., Tian, G.

Keywords :

BASE, ZYMOGEN, PROTEASE, MEMBRANE, HYDROLASE, ALZHEIMER'S DISEASE, ALTERNATIVE SPLICING, MEMAPSIN 2, GLYCOPROTEIN, TRANSMEMBRANE, BETA-SECRETASE, ASPARTYL PROTEASE, ASPARTIC PROTEASE

Exp. method :

X-RAY DIFFRACTION ( 2.20 Å )

Citation :

Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.

Edwards, P.D.,Albert, J.S.,Sylvester, M. et al.
(2007) J.Med.Chem. 50 : 5912

PubMed: 17985862
DOI: 10.1021/JM070829P

PDB ID: 2VA7

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